LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# Point dipoles in a 2d box

units		lj
atom_style  charge

read_data data.hammersley_sphere
  orthogonal box = (-51.5 -51.5 -51.5) to (51.5 51.5 51.5)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  1000 atoms
change_box all boundary f f f

velocity	all create 1.5 49893

neighbor	1.0 bin
neigh_modify	delay 0

fix             1 all nve

# LAMMPS computes pairwise and long-range Coulombics

#pair_style      coul/long 3.0
#pair_coeff      * *
#kspace_style    pppm 1.0e-3

# Scafacos computes entire long-range Coulombics
# use dummy pair style to perform atom sorting

pair_style	zero 1.0
pair_coeff	* *

#fix		2 all scafacos p3m tolerance field 0.001

kspace_style    scafacos fmm 0.001
kspace_modify scafacos tolerance energy_rel
kspace_modify scafacos fmm_tuning 1
ScaFaCoS setting fmm inhomogen tuning ...

timestep	0.005
thermo          1

run		20
Setting up ScaFaCoS with solver fmm ...
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2
  ghost atom cutoff = 2
  binsize = 1, bins = 103 103 103
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair zero, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.44 | 10.44 | 10.44 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          1.5  -0.62417141            0    1.6235786   0.00152244 
       1    18.780412   -10.770009            0    17.372438  0.016236934 
       2    65.294131   -11.084501            0    86.758754  0.058617275 
       3    121.92555   -7.0612033            0    175.64423   0.11075612 
       4    185.71165   -5.8781334            0    272.41077   0.16952031 
       5    286.28339   -4.3800108            0    424.61565   0.26135067 
       6    481.28097   -4.3052012            0    716.89433   0.43956491 
       7    487.26022   -3.8672741            0    726.29216   0.44508273 
       8    493.65478   -3.0242687            0    736.71742   0.45104121 
       9    495.66203   -3.4336343            0    739.31592   0.45268492 
      10    498.41831   -2.8837072            0    743.99613    0.4553526 
      11    499.20944   -2.7724783            0    745.29287   0.45612146 
      12    500.97345   -2.8281484            0    747.88057    0.4576713 
      13    507.46412   -2.7752775            0    757.65971   0.46352056 
      14    525.35729   -2.5749814            0    784.67292   0.47996621 
      15     563.9578   -2.9982381            0    842.09253   0.51513685 
      16    645.47602   -2.5519203            0    964.69389   0.58979054 
      17    647.09276   -2.2568468            0    967.41166   0.59135526 
      18    647.12596   -2.2791003            0    967.43915   0.59143679 
      19    647.24862   -2.2495226            0    967.65253   0.59151478 
      20    647.51175   -2.0239179            0    968.27244   0.59175037 
Loop time of 0.345449 on 1 procs for 20 steps with 1000 atoms

Performance: 25010.947 tau/day, 57.896 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 6.485e-05  | 6.485e-05  | 6.485e-05  |   0.0 |  0.02
Kspace  | 0.30702    | 0.30702    | 0.30702    |   0.0 | 88.88
Neigh   | 0.037661   | 0.037661   | 0.037661   |   0.0 | 10.90
Comm    | 5.4598e-05 | 5.4598e-05 | 5.4598e-05 |   0.0 |  0.02
Output  | 0.00032878 | 0.00032878 | 0.00032878 |   0.0 |  0.10
Modify  | 0.00016141 | 0.00016141 | 0.00016141 |   0.0 |  0.05
Other   |            | 0.0001564  |            |       |  0.05

Nlocal:    1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    244342 ave 244342 max 244342 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 244342
Ave neighs/atom = 244.342
Neighbor list builds = 19
Dangerous builds = 18
Total wall time: 0:00:00
